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CAS 6275-72-5 ETHYL 3-NITROPHENYLCARBAMATE molecular structure lightbox
CAS RN: 6275-72-5

ETHYL 3-NITROPHENYLCARBAMATE

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6275-72-5
  • Purity/Analytical Methods: >99.0%
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6275-72-5 / ethyl N-(3-nitrophenyl)carbamate

Standard CAS: 6275-72-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6275-72-5
Multi CAS
Yes
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
InChI
InChI=1S/C9H10N2O4/c1-2-15-9(12)10-7-4-3-5-8(6-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKey
JWPGACMNGJBXHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.74
TPSA
81.47

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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